1,3-Dibenzyl-2-(4-methoxyphenyl)imidazolidine - ≥85% , CAS No.307338-62-1

CAS: 307338-62-1 Cat. No.: D1265120 Molecular Weight: 358.5

GRADE & PURITY ≥85%

Storage

Room temperature

Specifications

Specifications & Purity

≥85%

Storage

Room temperature

Purity

≥85%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4
• IUPAC Name: 1,3-dibenzyl-2-(4-methoxyphenyl)imidazolidine
• InChIKey: YQBLZBIKFFYZJG-UHFFFAOYSA-N
• INCHI: 1S/C24H26N2O/c1-27-23-14-12-22(13-15-23)24-25(18-20-8-4-2-5-9-20)16-17-26(24)19-21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3
• Molecular Weight: 358.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Alkyl aryl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 358.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 358.205 Da
• Monoisotopic Mass: 358.205 Da
• Topological Polar Surface Area: 15.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 394.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1